Geometry & MOs

Info

ID:	171839
PubChem CID:	75432855
Reduced:	FN3O4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-154.65
Dipole, Da:	8.57
IP(EA), eV:	-8.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)NC2=C(C=NC(=O)N2)F)OC

DOS

IR

Vibrations